Hope my last email helps to clarify the confusion on this ...
Ray
On Tue, Aug 7, 2012 at 7:58 AM, Vlad Cojocaru
<vlad.cojocaru.mpi-muenster.mpg.de> wrote:
> Well, neither am I .. So, I just saw the error and no warning and
> deleted the output ...
> Anyhow, we are trying your second tip with parmed now and see if this
> works properly.
>
> Thanks again
> Vlad
>
> On 08/07/2012 04:49 PM, Jason Swails wrote:
>> On Tue, Aug 7, 2012 at 10:32 AM, Vlad Cojocaru <
>> vlad.cojocaru.mpi-muenster.mpg.de> wrote:
>>
>>> No Jason, I don't get this warning because I get the error and the
>>> program crashes beforehand ...
>>>
>> But that warning should be emitted before the aaradi subroutine is called
>> (since that's where radiopt is overwritten with inp=2). But perhaps I'm
>> missing something, since I'm not an expert with the PBSA code.
>>
>> All the best,
>> Jason
>>
>
> --
> Dr. Vlad Cojocaru
> Max Planck Institute for Molecular Biomedicine
> Department of Cell and Developmental Biology
> Röntgenstrasse 20, 48149 Münster, Germany
> Tel: +49-251-70365-324; Fax: +49-251-70365-399
> Email: vlad.cojocaru[at]mpi-muenster.mpg.de
>
>
>
>
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Received on Tue Aug 07 2012 - 15:30:03 PDT
